SCHEMBL10356953

SCHEMBL10356953

CC(=O)N1CCc2c(N)cccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.61
▸ AKR1C3 P42330 1/20 0.47
▸ PTAFR P25105 1/20 0.43
▸ BAZ2B Q9UIF8 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ BPTF Q12830 1/20 0.42
▸ ABHD6 Q9BV23 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ F12 P00748 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2252826 0.88 NOTUM (0.61) NOTUMPTAFRBAZ2BMAPTLMNA
SCHEMBL16111044 0.86 AKR1C3 (0.51) NOTUMAKR1C3MAPTLMNAABHD6
SCHEMBL3167899 0.84 RIPK1 (0.57) NOTUMAKR1C3ABHD6MEN1KMT2A
SCHEMBL6712189 0.83 NOTUM (0.63) NOTUMAKR1C3PTAFRBAZ2BMAPT
SCHEMBL10210758 0.83 NOTUM (0.63) NOTUMPTAFRBAZ2BMAPTLMNA
SCHEMBL4008584 0.81 NOTUM (0.61) NOTUMAKR1C3PTAFRBAZ2BMAPT
SCHEMBL4512420 0.81 NOTUM (0.61) NOTUMAKR1C3PTAFRMAPTLMNA
SCHEMBL394214 0.80 NR1H2 (0.60) MAPTABHD6F12
SCHEMBL29526229 0.80 NR1H2 (0.60) MAPTABHD6F12
SCHEMBL16891568 0.80 NOTUM (0.59) NOTUMPTAFRBAZ2BMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 — — US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 — — WO disclosed
EP-0266949-B1 TETRAHYDROISOQUINOLIN-2-YL DERIVATIVES OF CARBOXYLIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-11-28 — — EP disclosed
US-4812573-A ARYLSULFONAMIDE SUBSTITUTED TETRAHYDROISOQUINOLINYLALKANOIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES, LTD. (GB) 1989-03-14 — — US disclosed
EP-0266949-A1 Tetrahydroisoquinolin-2-yl derivatives of carboxylic acids as thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-11 — — EP disclosed
WO-1988003137-A1 TETRAHYDROISOQUINOLIN-2-YL DERIVATIVES OF CARBOXYLIC ACIDS AS THROMBOXANE A2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-05-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 NOTUM 652/4885AKR1C3 3643/4885PTAFR 517/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 NOTUM 652/4885AKR1C3 3643/4885PTAFR 517/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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